7Q6P
 
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7QYN
 | | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R2F
 | | Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R4E
 | | RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.00001168 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R3C
 | | VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-07 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.40000415 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R0A
 | | Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R02
 | | Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R1O
 | | p62-ZZ domain of the human sequestosome in complex with dusquetide | | Descriptor: | Dusquetide, Sequestosome-1, ZINC ION | | Authors: | Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O. | | Deposit date: | 2022-02-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
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4P3B
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3FAS
 | | X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-glutamate at 1.40A resolution | | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 4, ... | | Authors: | Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2008-11-18 | | Release date: | 2008-12-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4
Febs Lett., 582, 2008
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3RIN
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | | Authors: | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2011-04-14 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
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3FAT
 | | X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-AMPA at 1.90A resolution | | Descriptor: | (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, ACETIC ACID, GLYCEROL, ... | | Authors: | Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2008-11-18 | | Release date: | 2008-12-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4
Febs Lett., 582, 2008
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4PC2
 | | Elongation factor Tu:Ts complex with a bound GDP | | Descriptor: | CHLORIDE ION, Elongation factor Ts, Elongation factor Tu, ... | | Authors: | Thirup, S.S. | | Deposit date: | 2014-04-14 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1999 Å) | | Cite: | Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
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2PKD
 | | Crystal structure of CD84: Insite into SLAM family function | | Descriptor: | CHLORIDE ION, SLAM family member 5 | | Authors: | Yan, Q, Malashkevich, V.N, Fedorov, A, Cao, E, Lary, J.W, Cole, J.L, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2007-04-17 | | Release date: | 2007-06-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Structure of CD84 provides insight into SLAM family function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4RZL
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3G10
 | | Structure of S. pombe Pop2p - Mg2+ and Mn2+ bound form | | Descriptor: | CCR4-Not complex subunit Caf1, MAGNESIUM ION, MANGANESE (II) ION | | Authors: | Andersen, K.R, Jonstrup, A.T, Van, L.B, Brodersen, D.E. | | Deposit date: | 2009-01-29 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | The activity and selectivity of fission yeast Pop2p are affected by a high affinity for Zn2+ and Mn2+ in the active site
Rna, 15, 2009
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4TRC
 | | Sulfolobus solfataricus adenine phosphoribosyltransferase with adenine | | Descriptor: | ADENINE, PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1) | | Authors: | Kadziola, A. | | Deposit date: | 2014-06-16 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Biochemistry, 54, 2015
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2QFW
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2AAG
 | | Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities | | Descriptor: | Malonate Semialdehyde Decarboxylase | | Authors: | Almrud, J.J, Poelarends, G.J, Johnson Jr, W.H, Serrano, H, Hackert, M.L, Whitman, C.P. | | Deposit date: | 2005-07-13 | | Release date: | 2005-11-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of the Wild-Type, P1A Mutant, and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Biochemistry, 44, 2005
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4U4S
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution. | | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
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4U4X
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution. | | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Noerholm, A.B, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
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2B13
 | | Truncated S. aureus LytM, P41 crystal form | | Descriptor: | Glycyl-glycine endopeptidase lytM, L(+)-TARTARIC ACID, ZINC ION | | Authors: | Firczuk, M, Mucha, A, Bochtler, M. | | Deposit date: | 2005-09-15 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of active LytM.
J.Mol.Biol., 354, 2005
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2P2A
 | | X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution | | Descriptor: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Frydenvang, K, Kastrup, J.S, Gajhede, M. | | Deposit date: | 2007-03-07 | | Release date: | 2007-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
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2VJ8
 | | Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor | | Descriptor: | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID), ACETATE ION, IMIDAZOLE, ... | | Authors: | Thunnissen, M.M.G.M, Andersson, B, Wong, C.-H, Samuelsson, B, Haeggstrom, J.Z. | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Leukotriene A4 Hydrolase in Complex with Captopril and Two Competitive Tight-Binding Inhibitors
Faseb J., 16, 2002
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2VHY
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